CID 10267419

(11z)-8,18-ethanoretinal

Structural Information

Molecular Formula
C22H30O
SMILES
C/C(=C\C=O)/C=C\C=C(/C)\C1=CC2=C(CCC1)CCCC2(C)C
InChI
InChI=1S/C22H30O/c1-17(13-15-23)8-5-9-18(2)20-11-6-10-19-12-7-14-22(3,4)21(19)16-20/h5,8-9,13,15-16H,6-7,10-12,14H2,1-4H3/b8-5-,17-13+,18-9+
InChIKey
ARNSYHHHMPKWSV-ZFDCRCAWSA-N
Compound name
(2E,4Z,6E)-7-(4,4-dimethyl-1,2,3,7,8,9-hexahydrobenzo[7]annulen-6-yl)-3-methylocta-2,4,6-trienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.22968 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.23696 173.7
[M+Na]+ 333.21890 176.3
[M-H]- 309.22240 177.7
[M+NH4]+ 328.26350 190.5
[M+K]+ 349.19284 174.4
[M+H-H2O]+ 293.22694 168.9
[M+HCOO]- 355.22788 188.2
[M+CH3COO]- 369.24353 209.3
[M+Na-2H]- 331.20435 172.7
[M]+ 310.22913 167.9
[M]- 310.23023 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.